General Information of the Compound
| Compound ID |
CP0906076
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| Compound Name |
(S)-piperidine-3-carboxylic acid {(R)-2-(1H-indol-3-yl)-1-[4-(2-methyl-pyridin-1-yl)-5-phenethyl-4H-[1,2,4]triazol-3-yl]-ethyl}-amide
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| Structure |
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| Formula |
C32H35N7O
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| Molecular Weight |
533.68
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| Canonical SMILES |
Cc1ncccc1-n1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCNC1
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| InChI |
InChI=1S/C32H35N7O/c1-22-29(14-8-18-34-22)39-30(16-15-23-9-3-2-4-10-23)37-38-31(39)28(36-32(40)24-11-7-17-33-20-24)19-25-21-35-27-13-6-5-12-26(25)27/h2-6,8-10,12-14,18,21,24,28,33,35H,7,11,15-17,19-20H2,1H3,(H,36,40)/t24-,28+/m0/s1
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| InChIKey |
GORZTKVOBMTKPC-RBJSKKJNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound